SCHEMBL26914895

SCHEMBL26914895

C[C@@H](COCCC(=O)O)Nc1cnn(COCC[Si](C)(C)C)c(=O)c1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ S1PR4 O95977 4/20 0.33
▸ S1PR1 P21453 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ MITF O75030 2/20 0.33
▸ LMNA P02545 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ PPARG P37231 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ XBP1 P17861 2/20 0.31
▸ TIPARP Q7Z3E1 8/20 0.31
▸ HDAC6 Q9UBN7 5/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26914899 1.00 NPC1 (0.33) NPC1ALDH1A1MAPTRAB9AS1PR4
SCHEMBL29841952 0.91 TIPARP (0.31) NPC1ALDH1A1MAPTRAB9AS1PR4
SCHEMBL21522042 0.89 KAT2B (0.35) NPC1ALDH1A1MAPTRAB9AS1PR4
SCHEMBL21520779 0.88 TIPARP (0.31) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL21520781 0.88 TIPARP (0.31) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL21521226 0.86 TIPARP (0.41) TIPARPHDAC6HDAC1PARP1CYP2C9
SCHEMBL21520955 0.86 TIPARP (0.41) TIPARPHDAC6HDAC1PARP1CYP2C9
SCHEMBL26125475 0.85 — —
SCHEMBL26125473 0.85 — —
SCHEMBL21521214 0.85 MAPT (0.32) NPC1ALDH1A1MAPTRAB9AS1PR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2024-05-23 — — US disclosed
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 — — EP disclosed
WO-2022166749-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海湃隆生物科技有限公司 2022-08-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, WEE1, WEE2 NPC1 1967/4885ALDH1A1 1500/4885MAPT 4774/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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